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Ligand Properties of 146429 compound from Dengue NS5 RdRp Library

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[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[C@]1([H])N([H])C(=O)C2=C(C([H])=C([H])C([H])=C2[H])N2C(=O)C3=C([H])C([H])=C([H])C([H])=C3N=C12

Molecule Name:	146429
Refractivity:	119.68
Resonant Structures:	200
topological PSA:	77.56
ASA hydrophobic:	501.19
ASA polar:	69.14
Accessible Surface Area:	570.33
cLogS:	-5.407
MW:	406.444
cLogP:	3.2543
H-Acceptors:	6
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.448438244
Druglikeness:	3.5742
Irritant:	none
Mutagenic:	none
Reproductive Effective:	low
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.4366
Acute Oral Toxicity:	II
Caco-2 Permeability:	Caco2+
P-glycoprotein Inhibitor2:	Non-inhibitor
CYP450 2C9 Substrate:	Non-substrate
Human Ether-a-go-go-Related Gene Inhibition:	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2:	Non-inhibitor
Caco-2 Permeability B:	0.8016
Tetrahymena Pyriformis Toxicity B:	0.345
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.6048
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Non-inhibitor
CYP450 1A2 Inhibitor:	Non-inhibitor
CYP450 2D6 Substrate:	Non-substrate
Biodegradation:	Not ready biodegradable
Carcinogens:	Non-carcinogens
Blood-Brain Barrier:	BBB+
CYP Inhibitory Promiscuity:	High CYP Inhibitory Promiscuity
Honey Bee Toxicity:	Low HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Tetrahymena Pyriformis Toxicity:	High TPT
P-glycoprotein Inhibitor:	Non-inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 146429 compound from Dengue NS5 RdRp Library

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